Information card for entry 4114999

Structure parameters

• Common name: trans-[Ru(II)(NH3)4Cl(SO2)]Cl
• Chemical name: trans-Tetraamminechloro(sulfur dioxide)ruthenium(II) chloride
• Formula: Cl2 H12 N4 O2 Ru S
• Calculated formula: Cl2 H12 N4 O2 Ru S
• SMILES: [NH3][Ru]([S](=O)=O)([NH3])([NH3])([NH3])Cl.[Cl-]
• Title of publication: The First Photocrystallographic Evidence for Light-Induced Metastable Linkage Isomers of Ruthenium Sulfur Dioxide Complexes
• Authors of publication: Andrey Yu. Kovalevsky; Kimberly A. Bagley; Philip Coppens
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 9241 - 9248
• a: 13.8859 ± 0.0017 Å
• b: 7.2451 ± 0.0009 Å
• c: 9.2462 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 930.2 ± 0.2 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No